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	hartrees
Energy at 0K	-2709.873743
Energy at 298.15K	-2709.879164
HF Energy	-2709.873743
Nuclear repulsion energy	165.657460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3010	2976	12.58
2	A'	1427	1411	2.08
3	A'	1278	1264	35.14
4	A'	1104	1092	211.16
5	A'	641	634	70.65
6	A'	310	307	0.45
7	A"	3091	3055	2.71
8	A"	1203	1190	1.58
9	A"	907	896	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.507	-1.112	0.000
F2	-0.581	-1.906	0.000
Br3	0.000	0.754	0.000
H4	1.092	-1.277	0.914
H5	1.092	-1.277	-0.914

	C1	F2	Br3	H4	H5
C1		1.3472	1.9333	1.0981	1.0981
F2	1.3472		2.7230	2.0078	2.0078
Br3	1.9333	2.7230		2.4808	2.4808
H4	1.0981	2.0078	2.4808		1.8284
H5	1.0981	2.0078	2.4808	1.8284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.943	F2	C1	H4	109.973
F2	C1	H5	109.973	Br3	C1	H4	106.571
Br3	C1	H5	106.571	H4	C1	H5	112.722

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)

using model chemistry: SVWN/TZVP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.136
2	F	-0.154
3	Br	-0.084
4	H	0.187
5	H	0.187

	x	y	z	Total
	1.711	-0.626	0.000	1.822
CHELPG
AIM
ESP

	x	y	z
x	3.685	-0.489	0.000
y	-0.489	6.129	0.000
z	0.000	0.000	3.453

<r²>	90.472
(<r²>)^1/2	9.512

All results from a given calculation for CH2BrF (Methane, bromofluoro-)

using model chemistry: SVWN/TZVP

States and conformations

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)